SCHEMBL23857378

SCHEMBL23857378

Cc1ccc(S(=O)(=O)OCC2Cc3cc(OCCNC(=O)OC(C)(C)C)nc(C)c3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 9/20 0.43
▸ CA2 P00918 9/20 0.43
▸ CA12 O43570 5/20 0.43
▸ CA9 Q16790 5/20 0.43
▸ ACACB O00763 1/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ CNR1 P21554 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PHGDH O43175 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ EGFR P00533 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30253263 1.00 CA1 (0.43) CA1CA2CA12CA9ACACB
SCHEMBL30406809 0.83 CA12 (0.39) CA1CA2CA12CA9ACACB
SCHEMBL23871636 0.83 CA12 (0.39) CA1CA2CA12CA9ACACB
Lithium Ion SCHEMBL30253157 0.82 CA12 (0.38) CA1CA2CA12CA9ACACB
SCHEMBL28908690 0.81 F2 (0.31) —
SCHEMBL30047517 0.76 CA12 (0.38) CA1CA2CA12CA9KDM4E
SCHEMBL23857034 0.76 CA12 (0.38) CA1CA2CA12CA9KDM4E
SCHEMBL791306 0.75 CA2 (0.56) CA1CA2CA12CA9CCNC
SCHEMBL487585 0.73 CA1 (0.59) CA1CA2CA12CA9CCNC
SCHEMBL23857385 0.72 STK17B (0.39) CA1CA2CA12CA9ACACB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 — — EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 — — US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 — — US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 — — US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 — — EP disclosed
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 — — CN disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 — — WO disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 CA1 4207/4885CA2 2939/4885CA12 2660/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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